| CAS Number | 293305-69-8 |
| Catalog Number | AG00C2SR(AGN-PC-0WAI1Q) |
| Chemical Name | tert-butyl N-[(2R)-1-iodo-3-phenylpropan-2-yl]carbamate |
| IUPAC Name | tert-butyl N-[(2R)-1-iodo-3-phenylpropan-2-yl]carbamate |
| InChI | InChI=1S/C14H20INO2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1 |
| InChI Key | OOWACWHUQANTFH-GFCCVEGCSA-N |
| MDL Number | MFCD16293784 |
| Molecular Formula | C14H20INO2 |
| Molecular Weight | 361.2186 |
| SMILES | IC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C |
| Synonyms | 293305-69-8,
(R)-N-Boc-|A-(iodomethyl)benzeneethanamine,
TERT-BUTYL N-[(2R)-1-IODO-3-PHENYLPROPAN-2-YL]CARBAMATE,
DTXSID30565798,
ZINC38244456,
FT-0663527,
J-017475,
tert-Butyl [(2R)-1-iodo-3-phenylpropan-2-yl]carbamate,
[(R)-alpha-(Iodomethyl)phenethyl]carbamic acid tert-butyl ester,
N-[(1R)-1-(Iodomethyl)-2-phenylethyl]carbamic Acid 1,1-Dimethylethyl Ester,
OOWACWHUQANTFH-GFCCVEGCSA-N,
(R)-N-Boc-2-amino-3-phenylpropyl iodide,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.223g/mol |
| Monoisotopic Mass | 361.054g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number